UCSF

ZINC01598258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.44 0.86 -47.32 1 4 -1 69 142.134 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 124-126? Alfa-Aesar
Melting_Point 124-126° Alfa-Aesar
PUBCHEM_PATENT_ID US5071902; US6107391; US6133365 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )